CID 15958147

Schembl14014951

Structural Information

Molecular Formula
C19H17F2N3O2
SMILES
C1CCC(CC1)C2=C(C=NC3=C(C=NN23)C(=O)O)C4=CC(=C(C=C4)F)F
InChI
InChI=1S/C19H17F2N3O2/c20-15-7-6-12(8-16(15)21)13-9-22-18-14(19(25)26)10-23-24(18)17(13)11-4-2-1-3-5-11/h6-11H,1-5H2,(H,25,26)
InChIKey
NJSDZCVHHFFBEM-UHFFFAOYSA-N
Compound name
7-cyclohexyl-6-(3,4-difluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

357.12888 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.13616 182.7
[M+Na]+ 380.11810 191.6
[M-H]- 356.12160 185.9
[M+NH4]+ 375.16270 193.2
[M+K]+ 396.09204 184.3
[M+H-H2O]+ 340.12614 170.5
[M+HCOO]- 402.12708 196.1
[M+CH3COO]- 416.14273 191.5
[M+Na-2H]- 378.10355 182.0
[M]+ 357.12833 178.7
[M]- 357.12943 178.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe